Dichloromethane → (4-(Azetidin-3-yl)piperazin-1-yl)(thiazol-2-yl)methanone

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[s:21][cH:22][cH:23][n:24]3)[CH2:16][CH2:17]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[Cl:32][CH2:33][Cl:34].[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31]>>[NH:8]1[CH2:9][CH:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[s:21][cH:22][cH:23][n:24]3)[CH2:16][CH2:17]2)[CH2:11]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 596260133-[4-(Thiazole-2-carbonyl)-piperazin-1-yl]-azetidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 59625677(4-(Azetidin-3-yl)piperazin-1-yl)(thiazol-2-yl)methanone

출처 및 근거

ORD 기록: ord-c5f5b495d20d4166b1b837994d18f00d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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